Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-2-(1-hydroxycyclohexyl)acetic acid

2-{[(tert-butoxy)carbonyl]amino}-2-(1-hydroxycyclohexyl)acetic acid

CAS No.:
856417-72-6
Catalog Number:
AG01EKV3
Molecular Formula:
C13H23NO5
Molecular Weight:
273.3254
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Product Description
Catalog Number:
AG01EKV3
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-2-(1-hydroxycyclohexyl)acetic acid
CAS Number:
856417-72-6
Molecular Formula:
C13H23NO5
Molecular Weight:
273.3254
MDL Number:
MFCD31666432
IUPAC Name:
2-(1-hydroxycyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-9(10(15)16)13(18)7-5-4-6-8-13/h9,18H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:
IZSVJQVMRJYFPC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C1(O)CCCCC1)C(=O)O
Properties
Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.158g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
273.329g/mol
Monoisotopic Mass:
273.158g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties